#------------------------------------------------------------------------------
#$Date: 2015-10-15 00:02:41 +0200 (jue 15 de oct de 2015) $
#$Revision: 169074 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/99/1539965.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1539965
loop_
_publ_author_name
'Wuensch, B.J.'
'Nowacki, W.'
_publ_section_title
;
 The substructure of the sulfosalt jordanite
;
_journal_name_full
;
Schweizerische Mineralogische und Petrographische Mitteilungen
;
_journal_page_first              89
_journal_page_last               96
_journal_volume                  46
_journal_year                    1966
_chemical_formula_sum            'As3.5 Pb6.5 S10'
_chemical_name_systematic        'Pb6.5 As3.5 S11.75'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.83
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.48
_cell_length_b                   31.92
_cell_length_c                   4.22
_cell_volume                     533.668
_citation_journal_id_ASTM        SMPTA8
_cod_data_source_file            Wuensch_SMPTA8_1966_42.cif
_cod_data_source_block           As3.5Pb6.5S10
_cod_original_cell_volume        533.6677
_cod_database_code               1539965
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
S3 S-2 0.498 0.184 0.74 1 0.0
Pb3 Pb+2 0.718 0.25 0.371 0.25 0.0
Pb2 Pb+2 0.066 0.1479 0.044 1 0.0
As1 As+3 0.36 0.0503 0.687 0.5 0.0
S1 S-2 0 0 0 1 0.0
S2 S-2 0.8 0.093 0.395 1 0.0
Pb1 Pb+2 0.36 0.0503 0.687 0.5 0.0
As2 As+3 0.718 0.25 0.371 0.75 0.0
